⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21591937 | 0.73 | — | — | |
| SCHEMBL820288 | 0.73 | — | — | |
| SCHEMBL1245648 | 0.73 | — | — | |
| SCHEMBL16970237 | 0.69 | — | — | |
| SCHEMBL653146 | 0.67 | — | — | |
| SCHEMBL8633434 | 0.67 | — | — | |
| SCHEMBL4957474 | 0.67 | — | — | |
| SCHEMBL8632749 | 0.67 | — | — | |
| SCHEMBL28754433 | 0.67 | — | — | |
| SCHEMBL25426846 | 0.65 | ALDH1A1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104326862-B | A kind of preparation method of 2,4-bis-chloro-1,1,1-trifluorobutane derivative | 西安近代化学研究所 | 2016-08-17 | — | — | CN | claimed |
| CN-104326862-A | Preparation method of 2,4-dichloro-1,1,1-trifluorobutane derivative | XIAN MODERN CHEMISTRY RES INST | 2015-02-04 | — | — | CN | claimed |
| CN-104326862-B | A kind of preparation method of 2,4-bis-chloro-1,1,1-trifluorobutane derivative | 西安近代化学研究所 | 2016-08-17 | — | — | CN | disclosed |
| CN-104326862-B | A kind of preparation method of 2,4-bis-chloro-1,1,1-trifluorobutane derivative | 西安近代化学研究所 | 2016-08-17 | — | — | CN | disclosed |
| CN-104326862-B | A kind of preparation method of 2,4-bis-chloro-1,1,1-trifluorobutane derivative | 西安近代化学研究所 | 2016-08-17 | — | — | CN | disclosed |
| CN-104326862-A | Preparation method of 2,4-dichloro-1,1,1-trifluorobutane derivative | XIAN MODERN CHEMISTRY RES INST | 2015-02-04 | — | — | CN | disclosed |
| CN-104326862-A | Preparation method of 2,4-dichloro-1,1,1-trifluorobutane derivative | XIAN MODERN CHEMISTRY RES INST | 2015-02-04 | — | — | CN | disclosed |
| CN-104326862-A | Preparation method of 2,4-dichloro-1,1,1-trifluorobutane derivative | XIAN MODERN CHEMISTRY RES INST | 2015-02-04 | — | — | CN | disclosed |
| WO-2012025469-A1 | IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS | SOLVAY SA (BE) | 2012-03-01 | — | — | WO | disclosed |
| US-7223892-B2 | Process for the separation of a mixture comprising at least one hydrofluoroalkane | SOLVAY S.A. (BE) | 2007-05-29 | — | — | US | disclosed |